N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C22H32N6O — CID 131660737

About N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 131660737) has the molecular formula C22H32N6O and a molecular weight of 396.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 131660737
• Molecular Formula: C22H32N6O
• Molecular Weight: 396.54 g/mol
• Exact Mass: 396.26
• IUPAC Name: N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCC3CC3)cn12
• InChI: InChI=1S/C22H32N6O/c1-15(2)27-10-9-26(12-17-5-6-17)14-19(27)21-25-24-20-8-7-18(13-28(20)21)22(29)23-11-16-3-4-16/h7-8,13,15-17,19H,3-6,9-12,14H2,1-2H3,(H,23,29)
• InChIKey: KRNPGZWSYHJDSK-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 65.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.54
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 131660737) is N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is CC(C)N1CCN(CC2CC2)CC1c1nnc2ccc(C(=O)NCC3CC3)cn12.

What is the InChIKey of N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is KRNPGZWSYHJDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O/c1-15(2)27-10-9-26(12-17-5-6-17)14-19(27)21-25-24-20-8-7-18(13-28(20)21)22(29)23-11-16-3-4-16/h7-8,13,15-17,19H,3-6,9-12,14H2,1-2H3,(H,23,29).

What are the key properties of N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-3-[4-(cyclopropylmethyl)-1-propan-2-ylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 131660737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).